2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate

C24H29N3O4S — CID 108784887

About 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate

2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 108784887) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate
• PubChem CID: 108784887
• Molecular Formula: C24H29N3O4S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.19
• IUPAC Name: 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate
• SMILES: Cc1nc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)sc1C(=O)OCC(C)C
• InChI: InChI=1S/C24H29N3O4S/c1-14(2)13-30-23(29)22-16(5)26-24(32-22)27-20(28)10-11-21-25-12-19(31-21)18-8-6-17(7-9-18)15(3)4/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,26,27,28)
• InChIKey: BXRDGHXNTNRZOK-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 94.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate?

The IUPAC name of 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate (CID 108784887) is 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate.

What is the SMILES notation for 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate?

The canonical SMILES for 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate is Cc1nc(NC(=O)CCc2ncc(-c3ccc(C(C)C)cc3)o2)sc1C(=O)OCC(C)C.

What is the InChIKey of 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate?

The InChIKey is BXRDGHXNTNRZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-14(2)13-30-23(29)22-16(5)26-24(32-22)27-20(28)10-11-21-25-12-19(31-21)18-8-6-17(7-9-18)15(3)4/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,26,27,28).

What are the key properties of 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate?

2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 455.58 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl 4-methyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108784887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).